Chemoinformaics analysis of ETHYL(DIMETHYL)ETHOXYSILANE


Molecular Weight 132.279 nRot 3
Heavy Atom Molecular Weight 116.151 nRig 0
Exact Molecular Weight 132.097 nRing 0
Solubility: LogS -3.122 nHRing 0
Solubility: LogP 2.659 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 27.0207
nHD 0 BPOL 33.2273
QED 0.535
Synth 2.928
Natural Product Likeliness -0.113
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.006
HIA 0.003
CACO-2 -4.351
MDCK 0.0000201
BBB 0.053
PPB 0.978385
VDSS 1.051
FU 0.0153234
CYP1A2-inh 0.824
CYP1A2-sub 0.953
CYP2c19-inh 0.135
CYP2c19-sub 0.871
CYP2c9-inh 0.027
CYP2c9-sub 0.736
CYP2d6-inh 0.015
CYP2d6-sub 0.43
CYP3a4-inh 0.009
CYP3a4-sub 0.164
CL 5.07
T12 0.747
hERG 0.021
Ames 0.068
ROA 0.003
SkinSen 0.125
Carcinogencity 0.364
EI 0.995
Respiratory 0.503
NR-Aromatase 0.004
Antiviral No
Prediction 0.951789